2-methyl-2-[(Z)-prop-1-enyl]sulfonylpropane;2-methyl-2-[(E)-prop-1-enyl]sulfonylpropane

C14H28O4S2 — CID 158046501

IUPAC2-methyl-2-[(Z)-prop-1-enyl]sulfonylpropane;2-methyl-2-[(E)-prop-1-enyl]sulfonylpropane
SMILESC/C=C/S(=O)(=O)C(C)(C)C.C/C=C\S(=O)(=O)C(C)(C)C
InChIInChI=1S/2C7H14O2S/c2*1-5-6-10(8,9)7(2,3)4/h2*5-6H,1-4H3/b6-5+;6-5-
InChIKeyFIYZATNUQRTJIC-JFFOEUGHSA-N
MW324.51 g/mol
LogP3.47
Rot. Bonds2

About 2-methyl-2-[(Z)-prop-1-enyl]sulfonylpropane;2-methyl-2-[(E)-prop-1-enyl]sulfonylpropane

2-methyl-2-[(Z)-prop-1-enyl]sulfonylpropane;2-methyl-2-[(E)-prop-1-enyl]sulfonylpropane (PubChem CID 158046501) has the molecular formula C14H28O4S2 and a molecular weight of 324.51 g/mol. Its IUPAC name is 2-methyl-2-[(Z)-prop-1-enyl]sulfonylpropane;2-methyl-2-[(E)-prop-1-enyl]sulfonylpropane.

Molecular Properties

Compound Name2-methyl-2-[(Z)-prop-1-enyl]sulfonylpropane;2-methyl-2-[(E)-prop-1-enyl]sulfonylpropane
PubChem CID158046501
Molecular FormulaC14H28O4S2
Molecular Weight324.51 g/mol
Exact Mass324.14
IUPAC Name2-methyl-2-[(Z)-prop-1-enyl]sulfonylpropane;2-methyl-2-[(E)-prop-1-enyl]sulfonylpropane
SMILESC/C=C/S(=O)(=O)C(C)(C)C.C/C=C\S(=O)(=O)C(C)(C)C
InChIInChI=1S/2C7H14O2S/c2*1-5-6-10(8,9)7(2,3)4/h2*5-6H,1-4H3/b6-5+;6-5-
InChIKeyFIYZATNUQRTJIC-JFFOEUGHSA-N
XLogP3.47
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methyl-2-[(Z)-prop-1-enyl]sulfonylpropane;2-methyl-2-[(E)-prop-1-enyl]sulfonylpropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-prop-1-ene-1-sulfonic acid
CID 59687204
S-phenyl (E)-3-tert-butylsulfonylprop-2-enethioate
CID 14224800
(E)-2-tert-butylsulfonylbut-2-ene
CID 12759894
sodium;hydride;prop-1-ene-1-sulfonoperoxoic acid
CID 175556625
2-methylpropane-2-sulfonic acid;hydrofluoride
CID 87671931
tert-butyl-ethenyl-methylidene-oxo-λ6-sulfane
CID 165087260
fluoro-dimethyl-prop-1-enyl-λ4-sulfane
CID 146603549
azane;(but-2-enoylamino) 2-methylpropane-2-sulfonate
CID 174769426
(E)-1,2-bis(methylsulfonyl)ethene
CID 13198777
lithium;but-2-ene;hydride
CID 173104793
1-(2-ethoxyethylsulfonyl)prop-1-ene
CID 126550218
2-tert-butylsulfonyl-2,3,3-trimethylbutane
CID 58548756

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(Z)-prop-1-enyl]sulfonylpropane;2-methyl-2-[(E)-prop-1-enyl]sulfonylpropane?
The IUPAC name of 2-methyl-2-[(Z)-prop-1-enyl]sulfonylpropane;2-methyl-2-[(E)-prop-1-enyl]sulfonylpropane (CID 158046501) is 2-methyl-2-[(Z)-prop-1-enyl]sulfonylpropane;2-methyl-2-[(E)-prop-1-enyl]sulfonylpropane.
What is the SMILES notation for 2-methyl-2-[(Z)-prop-1-enyl]sulfonylpropane;2-methyl-2-[(E)-prop-1-enyl]sulfonylpropane?
The canonical SMILES for 2-methyl-2-[(Z)-prop-1-enyl]sulfonylpropane;2-methyl-2-[(E)-prop-1-enyl]sulfonylpropane is C/C=C/S(=O)(=O)C(C)(C)C.C/C=C\S(=O)(=O)C(C)(C)C.
What is the InChIKey of 2-methyl-2-[(Z)-prop-1-enyl]sulfonylpropane;2-methyl-2-[(E)-prop-1-enyl]sulfonylpropane?
The InChIKey is FIYZATNUQRTJIC-JFFOEUGHSA-N. The full InChI is InChI=1S/2C7H14O2S/c2*1-5-6-10(8,9)7(2,3)4/h2*5-6H,1-4H3/b6-5+;6-5-.
What are the key properties of 2-methyl-2-[(Z)-prop-1-enyl]sulfonylpropane;2-methyl-2-[(E)-prop-1-enyl]sulfonylpropane?
2-methyl-2-[(Z)-prop-1-enyl]sulfonylpropane;2-methyl-2-[(E)-prop-1-enyl]sulfonylpropane has a molecular weight of 324.51 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(Z)-prop-1-enyl]sulfonylpropane;2-methyl-2-[(E)-prop-1-enyl]sulfonylpropane is sourced from PubChem (CID 158046501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).